In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | Yes |
Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[[2-[(…
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Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.67 | 9.32 | -48.97 | 2 | 6 | 1 | 63 | 393.511 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 7.01 | -13.55 | 1 | 6 | 0 | 62 | 392.503 | 7 | ↓ |